nileshjchoudhary
Chemical Engineer;multi-scale simulation; gas hydrates; nucleation; water simulation
Indian Institute of Technology TirupatiTirupati
Pinned Repositories
AA
boilerplate
Example Project - wordpress plugin
Enhanced_Sampling_Methods_Tutorials
Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..
flash
Two-phase Flash Calculation
Flow-through-driven-cavity-Finite-element-analysis-CFD
Flow through driven cavity Finite element analysis
Gibbs-energy-prediction-model
A model based on DNN and CNN neural networks for predicting the Gibbs energy minimum and accelerating the exploratory analysis step in alloy creation
GibbsEnergyMinimizationModel
Implementation of Gibbs-energy minimization for reacting systems
graphtheroytrejctoryAnalysis
MDBenchmark
Quickly generate, start and analyze benchmarks for GROMACS and NAMD simulations.
pore_analyzer
A collection of algorithms for analyzing nanoporous materials.
nileshjchoudhary's Repositories
nileshjchoudhary/graphtheroytrejctoryAnalysis
nileshjchoudhary/Gibbs-energy-prediction-model
A model based on DNN and CNN neural networks for predicting the Gibbs energy minimum and accelerating the exploratory analysis step in alloy creation
nileshjchoudhary/GibbsEnergyMinimizationModel
Implementation of Gibbs-energy minimization for reacting systems
nileshjchoudhary/pore_analyzer
A collection of algorithms for analyzing nanoporous materials.
nileshjchoudhary/aws-hpc-tutorials
nileshjchoudhary/Clapeyron.jl
Clapeyron (formerly OpenSAFT) provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
nileshjchoudhary/cool_python_apps
Small and cool python apps including bitcoin mining, language translator etc.
nileshjchoudhary/CoolProp
Thermophysical properties for the masses
nileshjchoudhary/DiffusionFusion
Calculate position-dependent diffusivity functions from trajectory data (usually from molecular dynamics). The approach is described in http://doi.org/10.1021/ct300867e . The fractional Smoluchowski model is described in http://doi.org/10.1038/srep35913 .
nileshjchoudhary/EnvironmentFinder
Tool for finding atomic environments in crystal structures
nileshjchoudhary/EoS
Equations of State and Flash Calculation for multicomponent
nileshjchoudhary/epiflows
☣:airplane: Risk assessment of travel-related disease spread
nileshjchoudhary/Finding-properties-using-PITZER-second-Virial-Coefficient
This project help to find compressibility factor and pressure/volume using the conditions of Pitzer's second virial coefficient. It checks whether compressibility factor is linear function of reduced pressure and then displays the required result.
nileshjchoudhary/flows_for_atomic_solids
nileshjchoudhary/GEMS3K
nileshjchoudhary/GEMSGUI
nileshjchoudhary/HelmholtzMedia
Modelica library for the calculation of fluid properties from a Helmholtz energy equation of state (EoS).
nileshjchoudhary/HTR
nileshjchoudhary/infretis
A python library for replica exchange transition interface sampling with infinite swaps
nileshjchoudhary/JMP
Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
nileshjchoudhary/LAMMPS_Examples
Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
nileshjchoudhary/openCOSMO-RS_py
nileshjchoudhary/plumed.github.io
PLUMED website
nileshjchoudhary/plumed2
Development version of plumed 2
nileshjchoudhary/pyAPEP
nileshjchoudhary/PyDFTlj
An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries
nileshjchoudhary/T1
3 paritcle
nileshjchoudhary/virial3
calculation of second virial coefficients of small molecules
nileshjchoudhary/water-order
A fast, OpenMP parallelised C++ package that calculates the radial distribution of various local order parameters for water droplets from MD trajectories.
nileshjchoudhary/website
The train engine powering the Coding Train website